Molecule

ID:20538

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO
Molecular Mass
227.30158
Exact Mass
227.13101417
Charge
0
InChI
InChI=1S/C15H17NO/c1-10-6-11(2)8-14(7-10)17-13-4-5-15(16)12(3)9-13/h4-9H,16H2,1-3H3
InChIKey
NGSNAVOVDVLMIU-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Oc2ccc(c(c2)C)N)cc(c1)C
Isomeric Smiles
c1(Oc2cc(c(cc2)N)C)cc(cc(c1)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.158583
LogD (pH = 7.4)
4.1845303
Log P
4.184871
Molar Refractivity
72.1228
Polarizability
27.121235
Polar Surface Area
35.25
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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